smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](N)CO)C(=O)NCC(=O)[O-]	ZINC000005273798	554488096	/nfs/dbraw/zinc/48/80/96/554488096.db2.gz	UVLWLKCNNYTXDT-KXUCPTDWSA-N	-1	1	490.474	-5.669	50	0		JAAAMM
COc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000009915523	195022883	/nfs/dbraw/zinc/02/28/83/195022883.db2.gz	SKXFIKSGHXFZFF-UHFFFAOYSA-N	-1	1	474.517	-1.086	50	0		JAAAMM
COCCn1cnc2c1c(=O)n(CC(=O)NN1CC(=O)[N-]C1=O)c(=O)n2Cc1ccccc1	ZINC000012519927	522139579	/nfs/dbraw/zinc/13/95/79/522139579.db2.gz	YNFPZWNTJCUYJV-UHFFFAOYSA-N	-1	1	455.431	-1.363	50	0		JAAAMM
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	ZINC000015521877	555913220	/nfs/dbraw/zinc/91/32/20/555913220.db2.gz	SBASPRRECYVBRF-KQYNXXCUSA-O	-1	1	458.237	-3.023	50	0	in-man	JAAAMM
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	ZINC000015521877	555913219	/nfs/dbraw/zinc/91/32/19/555913219.db2.gz	SBASPRRECYVBRF-KQYNXXCUSA-O	-1	1	458.237	-3.023	50	0	in-man	JAAAMM
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](N)CO)C(=O)NCC(=O)[O-]	ZINC000015721330	555955543	/nfs/dbraw/zinc/95/55/43/555955543.db2.gz	UVLWLKCNNYTXDT-GUBZILKMSA-N	-1	1	490.474	-5.669	50	0		JAAAMM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1	ZINC000033436017	525402223	/nfs/dbraw/zinc/40/22/23/525402223.db2.gz	YTRVPEHHPPXWNE-UHFFFAOYSA-N	-1	1	476.475	-1.192	50	0		JAAAMM
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](N)CO)C(=O)NCC(=O)[O-]	ZINC000215965418	569877773	/nfs/dbraw/zinc/87/77/73/569877773.db2.gz	UVLWLKCNNYTXDT-LPEHRKFASA-N	-1	1	490.474	-5.669	50	0		JAAAMM